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stfc / janus-core / 8021017270
92%

Build:
DEFAULT BRANCH: main
Ran 23 Feb 2024 03:00PM UTC
Jobs 4
Files 4
Run time 1s
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23 Feb 2024 02:57PM UTC coverage: 100.0%. Remained the same
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Add geometry optimisation (#33)

* Add pytest flag for slow tests

* Add geometry optimisation

* Add geometry optimisation tests

* Rename geometry optimization

* Update type hints and tidy code

* Refactor tests

* Add option to save optimised structure

* Fix type hints

* Update docs

* Make type hints consistent

* Add option to save optimization trajectory

* Fix docstrings

* Clarify default filter

* Remove unlinking for trajectory file

---------

Co-authored-by: ElliottKasoar <ElliottKasoar@users.noreply.github.com>

114 of 114 relevant lines covered (100.0%)

4.0 hits per line

Jobs
ID Job ID Ran Files Coverage
1 run-3.9 - 8021017270.1 23 Feb 2024 03:00PM UTC 4
100.0
GitHub Action Run
2 run-3.10 - 8021017270.2 23 Feb 2024 03:00PM UTC 4
100.0
GitHub Action Run
3 run-3.11 - 8021017270.3 23 Feb 2024 03:00PM UTC 4
100.0
GitHub Action Run
4 run-3.12 - 8021017270.4 23 Feb 2024 03:00PM UTC 4
100.0
GitHub Action Run
Source Files on build 8021017270
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